![CAS 1315281-10-7 2-{4-[2-(4-Chlorophenyl)ethynyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1315281-10-7.gif)
CAS RN: 1315281-10-7
2-{4-[2-(4-Chlorophenyl)ethynyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1315281-10-7
- Purity/Analytical Methods: >99.0%
1315281-10-7 / 2-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1315281-10-7
Multi CAS
No
Molecular Formula
C20H20BClO2
Molecular Weight
338.600000
Exact Mass
338.124488
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H20BClO2/c1-19(2)20(3,4)24-21(23-19)17-11-7-15(8-12-17)5-6-16-9-13-18(22)14-10-16/h7-14H,1-4H3
InChIKey
JYBZGAZKBBARQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
99.59
TPSA
18.46
LogP / Solubility
WLOGP
4.04
MLOGP
3.57
XLogP3
4.04
Consensus LogP
3.88
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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![CAS 1315281-50-5 1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1315281-50-5.gif)
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